The mass transfer characteristics of lithium ion in the membranes of organics electrolyte lithium air battery were studied from a mesoscopic perspective.By using the dissipative particle dynamics DPD simulation method,the coarse-grained model of lithium perfluorinated acid (PFSA-Li) ion exchange membrane,organic solvent ethylene glycol dimethyl ether (DME) and lithium hexafluorophosphate (LiPF6) was constructed by means of molecular simulation software Materials Studio.The 3D topology of lithium-ion channels in the PFSA-Li membrane was analyzed,and studied the effects of temperature,organic liquid content and lithium salt concentration on the diffusion behavior of lithium ion in the PFSA-Li membrane.When the content of organic liquid in the PFSA-Li membrane reached a certain level,the ionic clusters were connected to each other,and finally formed a continuous cavernous channels through the membrane.Rising the temperature and increasing the content of the organic liquid were beneficial to the diffusion of lithium ion in the PFSA-Li membrane.When the concentration of lithium salt was 1 mol/L,the diffusion of lithium ion was the best.The research results provided an important basis for the improvement of the performance of the organic electrolyte type lithium air battery.
Sun Hong, Wang Mou, Li Qiang, Zhang Tianyu
. Study on Li-ion diffusion behavior in PFSA-Li film based on mesoscale[J]. New Chemical Materials, 2020
, 48(10)
: 216
-221
.
DOI: 10.19817/j.cnki.issn 1006-3536.2020.10.046
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